SCHEMBL13197381

SCHEMBL13197381

Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(SOON)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 14/20 0.61
▸ PTGS1 P23219 9/20 0.61
▸ CYP2C9 P11712 4/20 0.61
▸ PDPK1 O15530 3/20 0.61
▸ HDAC3 O15379 2/20 0.61
▸ HDAC4 P56524 2/20 0.61
▸ HDAC1 Q13547 2/20 0.61
▸ HDAC7 Q8WUI4 2/20 0.61
▸ HDAC2 Q92769 2/20 0.61
▸ HDAC10 Q969S8 2/20 0.61
▸ HDAC11 Q96DB2 2/20 0.61
▸ HDAC8 Q9BY41 2/20 0.61
▸ HDAC6 Q9UBN7 2/20 0.61
▸ HDAC9 Q9UKV0 2/20 0.61
▸ HDAC5 Q9UQL6 2/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ ALOX5 P09917 2/20 0.61
▸ PTGES O14684 1/20 0.61
▸ CA12 O43570 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18467072 0.84 PTGS2 (0.68) PTGS2PTGS1CYP2C9PDPK1HDAC3
SCHEMBL8266070 0.84 PTGS2 (0.80) PTGS2PTGS1CYP2C9PDPK1HDAC3
SCHEMBL14562085 0.83 KDM4C (0.42) PTGS2PTGS1CYP2C9PDPK1HDAC3
SCHEMBL25150243 0.83 PTGS2 (0.72) PTGS2PTGS1CYP2C9PDPK1HDAC3
SCHEMBL14562086 0.82 SMPD1 (0.43) PTGS2PTGS1CYP2C9PDPK1HDAC3
SCHEMBL14280460 0.82 PTGS2 (0.60) PTGS2PTGS1CYP2C9PDPK1HDAC3
SCHEMBL5420747 0.80 PTGS2 (0.74) PTGS2PTGS1CYP2C9PDPK1HDAC3
SCHEMBL14747609 0.80 PTGS2 (0.74) PTGS2PTGS1CYP2C9PDPK1HDAC3
SCHEMBL14418045 0.80 PDPK1 (0.66) PTGS2PTGS1PDPK1CA9
SCHEMBL15424743 0.80 PTGS2 (0.63) PTGS2PTGS1CYP2C9PDPK1HDAC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9775906-B2 Hydrogel polymeric compositions and methods INCEPT LLC (US) 2017-10-03 — — US disclosed
US-9125807-B2 Adhesive hydrogels for ophthalmic drug delivery INCEPT LLC (US) 2015-09-08 — — US disclosed
US-8409606-B2 Drug delivery through hydrogel plugs INCEPT, LLC (US) 2013-04-02 — — US disclosed
US-8071782-B2 Synthesis of 1,3,4-trisubstituted and 1,3,4,5-tetrasubstituted pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2011-12-06 — — US disclosed
US-20100209478-A1 DRUG DELIVERY THROUGH HYDROGEL PLUGS OCULAR THERAPEUTIX, INC. 2010-08-19 — — US disclosed
US-20100069483-A1 DUAL INHIBITION OF CYCLOOXYGENASE-2 AND CARBONIC ANHYDRASE AMOREPACIFIC CORPORATION (KR) 2010-03-18 — — US disclosed
US-7659426-B2 Target protein of anticancer agent and novel anticancer agent (spnal) corresponding thereto REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2010-02-09 — — US disclosed
US-20090252781-A1 HYDROGEL POLYMERIC COMPOSITIONS AND METHODS INCEPT LLC 2009-10-08 — — US disclosed
US-20090093637-A1 Synthesis of 1,3,4-Trisubstituted and 1,3,4,5-Tetrasubstituted Pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2009-04-09 — — US disclosed
US-20090017097-A1 Hydrogel polymeric compositions and methods OCULAR THERAPEUTIX, INC. 2009-01-15 — — US disclosed
US-20080306146-A1 Dosing Regimens for Cox-2 Inhibitor AMOREPACIFIC CORPORATION (KR) 2008-12-11 — — US disclosed
US-20080293679-A1 Use of carotenoids and/or carotenoid derivatives/analogs for reduction/inhibition of certain negative effects of COX inhibitors CARDAX PHARMACEUTICALS, INC. 2008-11-27 — — US disclosed
US-20080027011-A1 Homogeneous paste and gel formulations MERIAL LIMITED 2008-01-31 — — US disclosed
US-7320996-B2 Indolinone protein kinase inhibitors and cyclooxygenase inhibitors for use in combination therapy for the treatment of cancer SUGEN, INC (US) 2008-01-22 — — US disclosed
US-20070082955-A1 Novel target protein of anticancer agent and novel anticancer agent (spnal) corresponding thereto REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2007-04-12 — — US disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090252781-A1 HYDROGEL POLYMERIC COMPOSITIONS AND METHODS CRYAA, CRYAB, UACA PTGS2 368/4885PTGS1 268/4885CYP2C9 4277/4885
US-20080027011-A1 Homogeneous paste and gel formulations EPX, CAT, PEF1 PTGS2 329/4885PTGS1 101/4885CYP2C9 1064/4885
US-20070082955-A1 Novel target protein of anticancer agent and novel anticancer agent (spnal) corresponding thereto SRPRB, KHSRP, SPG11 PTGS2 4079/4885PTGS1 3661/4885CYP2C9 4881/4885
US-20080293679-A1 Use of carotenoids and/or carotenoid derivatives/analogs for reduction/inhibition of certain negative effects of COX inhibitors LPL, ALOX12, LCLAT1 PTGS2 9/4885PTGS1 26/4885CYP2C9 392/4885
US-20070060629-A1 Large conductance calcium-activated k channel opener KCNN3, KCNN1, KCNN2 PTGS2 594/4885PTGS1 558/4885CYP2C9 1249/4885
US-20090093637-A1 Synthesis of 1,3,4-Trisubstituted and 1,3,4,5-Tetrasubstituted Pyrazoles CYP3A4, CYP4B1, CYP2E1 PTGS2 270/4885PTGS1 84/4885CYP2C9 79/4885
US-20080306146-A1 Dosing Regimens for Cox-2 Inhibitor PTGES2, PTGS2, PTGER2 PTGS2 2/4885PTGS1 4/4885CYP2C9 77/4885
US-20100209478-A1 DRUG DELIVERY THROUGH HYDROGEL PLUGS AQP1, AQP4, AQP3 PTGS2 366/4885PTGS1 279/4885CYP2C9 1404/4885
US-20090017097-A1 Hydrogel polymeric compositions and methods CRYAA, CRYAB, UACA PTGS2 368/4885PTGS1 268/4885CYP2C9 4277/4885
US-20100069483-A1 DUAL INHIBITION OF CYCLOOXYGENASE-2 AND CARBONIC ANHYDRASE PTGS2, CA2, PTGES2 PTGS2 1/4885PTGS1 4/4885CYP2C9 76/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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