SCHEMBL106533

SCHEMBL106533

Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)c(C)c2C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.65
PTGS1 P23219 6/20 0.65
PDPK1 O15530 5/20 0.65
CYP2C9 P11712 3/20 0.65
PTGES O14684 1/20 0.65
HDAC3 O15379 1/20 0.65
CA12 O43570 1/20 0.65
PDE5A O76074 1/20 0.65
ABCB11 O95342 1/20 0.65
MT-CO2 P00403 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
LMNA P02545 1/20 0.65
CA3 P07451 1/20 0.65
CYP3A4 P08684 1/20 0.65
ALOX5 P09917 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
CYP2D6 P10635 1/20 0.65
ADRB3 P13945 1/20 0.65
ALOX15 P16050 1/20 0.65

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
SCHEMBL29502699 0.85 PTGS2 (0.66) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6912425 0.85 PTGS2 (0.66) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6450305 0.82 PTGS2 (0.64) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6721381 0.81 PTGS2 (0.79) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL15409313 0.80 PTGS2 (0.73) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6600273 0.80 PTGS2 (0.73) PTGS2PTGS1PDPK1CYP2C9PTGES
Celecoxib SCHEMBL3669597 0.79 PTGS2 (1.00) PTGS2PTGS1PDPK1CYP2C9PTGES
Celecoxib SCHEMBL3708 0.79 PTGS2 (1.00) PTGS2PTGS1PDPK1CYP2C9PTGES
SCHEMBL6721625 0.79 PTGS2 (0.73) PTGS2PTGS1PDPK1CYP2C9PTGES
Celecoxib SCHEMBL9998656 0.78 PTGS2 (0.98) PTGS2PTGS1PDPK1CYP2C9PTGES

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 386 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4656641-A2 METHODS AND DEVICES FOR USING ISOPERILLYL ALCOHOL University of Southern California (US) 2025-12-03 EP claimed
US-20250186472-A1 COMBINATION OF POH AND REMDESIVIR FOR TREATMENT OF CNS INFECTIONS Neonc Technologies, Inc. 2025-06-12 US claimed
US-20240239730-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-07-18 US claimed
US-11970436-B2 Pharmaceutical compositions comprising monoterpenes UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-04-30 US claimed
US-20240016800-A1 METHODS OF TREATING NEUROFIBROMATOSIS WITH PERILLYL ALCOHOL UNIVERSITY OF SOUTHERN CALIFORNIA 2024-01-18 US claimed
US-20230405125-A1 TREATMENT OF RECURRENT GIOBLASTOMA WITH PERILLYL ALCOHOL Neonc Technologies, Inc. 2023-12-21 US claimed
US-11786521-B2 Methods of treating neurofibromatosis with perillyl alcohol UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2023-10-17 US claimed
EP-4243794-A1 TREATMENT OF RECURRENT GIOBLASTOMA WITH PERILLYL ALCOHOL Neonc Technologies, Inc. (US) 2023-09-20 EP claimed
EP-4228648-A1 COMBINATION OF POH AND REMDESIVIR FOR TREATMENT OF CNS INFECTIONS Neonc Technologies, Inc. (US) 2023-08-23 EP claimed
CN-116615197-A Treatment of recurrent glioblastoma with perillyl alcohol NeOnc技术股份有限公司 2023-08-18 CN claimed
CN-103168018-A Pharmaceutical composition comprising POH derivative NEONC TECHNOLOGIES INC 2013-06-19 CN claimed
EP-2542082-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES Neonc Technologies Inc. (US) 2013-01-09 EP claimed
US-20120219541-A1 Therapeutic Compositions Comprising Monoterpenes UNIVERSITY OF SOUTHERN CALIFORNIA 2012-08-30 US claimed
US-8236862-B2 Therapeutic compositions comprising monoterpenes UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-08-07 US claimed
CN-102405044-A Therapeutic compositions containing monoterpenes UNIV SOUTHERN CALIFORNIA 2012-04-04 CN claimed
EP-2393488-A1 THERAPEUTIC COMPOSITIONS COMPRISING MONOTERPENES University Of Southern California (US) 2011-12-14 EP claimed
US-20110280860-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES NEONC TECHNOLOGIES INC. 2011-11-17 US claimed
WO-2011109635-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES NEONC TECHNOLOGIES INC. (US) 2011-09-09 WO claimed
US-20100226913-A1 Therapeutic Compositions Comprising Monoterpenes UNIVERSITY OF SOUTHERN CALIFORNIA 2010-09-09 US claimed
WO-2010091198-A1 THERAPEUTIC COMPOSITIONS COMPRISING MONOTERPENES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-08-12 WO claimed

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

For each of this compound's patents that has machine-readable text (7 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-20240239730-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES SQLE, DHPS, GGPS1 PTGS2 542/4885PTGS1 761/4885PDPK1 632/4885
US-20250186472-A1 COMBINATION OF POH AND REMDESIVIR FOR TREATMENT OF CNS INFECTIONS CFH, AQP4, MAG PTGS2 495/4885PTGS1 518/4885PDPK1 1971/4885
US-20110280860-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES SQLE, DHPS, GGPS1 PTGS2 542/4885PTGS1 761/4885PDPK1 632/4885
US-11970436-B2 Pharmaceutical compositions comprising monoterpenes SQLE, DHPS, GGPS1 PTGS2 542/4885PTGS1 761/4885PDPK1 632/4885
US-20240016800-A1 METHODS OF TREATING NEUROFIBROMATOSIS WITH PERILLYL ALCOHOL PMP22, CHAT, REL PTGS2 754/4885PTGS1 787/4885PDPK1 3479/4885
US-11786521-B2 Methods of treating neurofibromatosis with perillyl alcohol PMP22, CHAT, REL PTGS2 754/4885PTGS1 787/4885PDPK1 3479/4885
US-20230405125-A1 TREATMENT OF RECURRENT GIOBLASTOMA WITH PERILLYL ALCOHOL IDH3A, IDH1, IDH3B PTGS2 1517/4885PTGS1 1644/4885PDPK1 3147/4885

“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.