Sugi Predict

Sugi Predict / Compounds / SCHEMBL2995979

SCHEMBL2995979

SCHEMBL2995979

O=C(O)Oc1ccc([N+](=O)[O-])cc1CI

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL2995973 1.00 CYP1A2 (0.44) CYP1A2PTGDR2ALDH1A1MAPTHPGD
SCHEMBL2995971 0.89 CYP1A2 (0.42) CYP1A2PTGDR2ALDH1A1MAPTHPGD
SCHEMBL5147272 0.88 CYP1A2 (0.42) CYP1A2PTGDR2ALDH1A1MAPTHPGD
SCHEMBL32662599 0.88 CYP1A2 (0.46) CYP1A2PTGDR2ALDH1A1MAPTHPGD
SCHEMBL28102381 0.86 ALDH1A1 (0.46) CYP1A2PTGDR2ALDH1A1MAPTHPGD
SCHEMBL2993627 0.85 CYP1A2 (0.44) CYP1A2PTGDR2ALDH1A1MAPTHPGD
SCHEMBL2993625 0.85 CYP1A2 (0.44) CYP1A2PTGDR2ALDH1A1MAPTHPGD
SCHEMBL27573003 0.84 TSHR (0.46) CYP1A2PTGDR2ALDH1A1MAPTHPGD
SCHEMBL8489171 0.82 CYP1A2 (0.42) CYP1A2PTGDR2ALDH1A1MAPTHPGD
SCHEMBL8489175 0.82 CYP1A2 (0.42) CYP1A2PTGDR2ALDH1A1MAPTHPGD

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210332048-A1 MEROPENEM DERIVATIVES AND USES THEREOF KALA PHARMACEUTICALS, INC. 2021-10-28 — — US disclosed
US-11091487-B2 Meropenem derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2021-08-17 — — US disclosed
EP-2968274-B1 MEROPENEM DERIVATIVES AND USES THEREOF KALA PHARMACEUTICALS INC (US) 2019-10-16 — — EP disclosed
US-10392388-B2 Meropenem derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-08-27 — — US disclosed
US-20170349590-A1 MEROPENEM DERIVATIVES AND USES THEREOF OXFORD FINANCE LLC 2017-12-07 — — US disclosed
US-9725451-B2 Meropenem derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-08-08 — — US disclosed
US-20160039823-A1 Meropenem Derivatives and Uses Thereof KALA PHARMACEUTICALS, INC. (US) 2016-02-11 — — US disclosed
EP-2968274-A1 MEROPENEM DERIVATIVES AND USES THEREOF Kala Pharmaceuticals, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014144285-A1 MEROPENEM DERIVATIVES AND USES THEREOF KALA PHARMACEUTICALS, INC. (US) 2014-09-18 — — WO disclosed
US-20100184812-A1 MUTUAL PRODRUGS AND METHODS TO TREAT CANCER UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-07-22 — — US disclosed
US-7101912-B2 Carbidopa prodrugs and derivatives, and compositions and uses thereof XENOPORT, INC. (US) 2006-09-05 — — US disclosed
US-20040167216-A1 Carbidopa prodrugs and derivatives, and compositions and uses thereof XIANG JIA-NING (US) 2004-08-26 — — US disclosed
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2003-09-18 — — US disclosed
US-20030158089-A1 Administrative agents via the SMVT transporter XENOPORT, INC. 2003-08-21 — — 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 (8 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-20160039823-A1 Meropenem Derivatives and Uses Thereof SLCO1B1, SLCO2B1, ABCB11 CYP1A2 246/4885PTGDR2 3057/4885ALDH1A1 2014/4885
US-20040167216-A1 Carbidopa prodrugs and derivatives, and compositions and uses thereof PDE3A, ADORA2A, CDA CYP1A2 223/4885PTGDR2 40/4885ALDH1A1 606/4885
US-10392388-B2 Meropenem derivatives and uses thereof SLCO1B1, SLCO2B1, ABCB11 CYP1A2 246/4885PTGDR2 3057/4885ALDH1A1 2014/4885
US-20170349590-A1 MEROPENEM DERIVATIVES AND USES THEREOF SLCO1B1, SLCO2B1, ABCB11 CYP1A2 246/4885PTGDR2 3057/4885ALDH1A1 2014/4885
US-20210332048-A1 MEROPENEM DERIVATIVES AND USES THEREOF SLCO1B1, SLCO2B1, ABCB11 CYP1A2 246/4885PTGDR2 3057/4885ALDH1A1 2014/4885
US-11091487-B2 Meropenem derivatives and uses thereof SLCO1B1, SLCO2B1, ABCB11 CYP1A2 246/4885PTGDR2 3057/4885ALDH1A1 2014/4885
US-20100184812-A1 MUTUAL PRODRUGS AND METHODS TO TREAT CANCER RARA, RARB, RARG CYP1A2 390/4885PTGDR2 1328/4885ALDH1A1 218/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 CYP1A2 135/4885PTGDR2 568/4885ALDH1A1 298/4885

“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.