SCHEMBL9939344

SCHEMBL9939344

CC(=O)OC(OC(N)=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
MMP12 P39900 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
ACP3 P15309 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
PGR P06401 1/20 0.39
PTGS1 P23219 1/20 0.39
PDE4A P27815 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
FFAR1 O14842 1/20 0.38

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
SCHEMBL28629490 0.95 ALDH1A1 (0.50) PTGS2ALDH1A1CYP3A4MMP12PDCD1
SCHEMBL4198693 0.92 PTGS2 (0.53) PTGS2ALDH1A1CYP3A4MMP12PDCD1
SCHEMBL27679472 0.90 ALDH1A1 (0.54) ALDH1A1CYP3A4SMN1; SMN2CYP1A2PKM
SCHEMBL11126462 0.82 ALDH1A1 (0.54) PTGS2ALDH1A1CYP3A4MMP12PDCD1
SCHEMBL5306707 0.80 CYP2D6 (0.52) ALDH1A1CYP3A4SMN1; SMN2CYP1A2PKM
SCHEMBL486678 0.80 ALDH1A1 (0.63) ALDH1A1CYP3A4
SCHEMBL29194214 0.80 PTGS2 (0.46) PTGS2ALDH1A1CYP3A4MMP12PDCD1
SCHEMBL28881766 0.79 ALDH1A1 (0.50) PTGS2ALDH1A1CYP3A4MMP12PDCD1
SCHEMBL14798131 0.79 ALDH1A1 (0.61) ALDH1A1CYP3A4
SCHEMBL17863579 0.78 ALDH1A1 (0.48) PTGS2ALDH1A1CYP3A4PGRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970107-B1 PHOTOSWITCHABLE HDAC INHIBITORS MASSACHUSETTS GEN HOSPITAL (US) 2023-11-15 EP claimed
EP-4419513-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2025-08-27 EP disclosed
US-12384800-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2025-08-12 US disclosed
US-20250243174-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2025-07-31 US disclosed
WO-2025077996-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF ECTEINASCIDIN COMPOUNDS PHARMA MAR, S.A. (ES) 2025-04-17 WO disclosed
US-20240166666-A1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-05-23 US disclosed
US-20240131180-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2024-04-25 US disclosed
EP-4025253-B1 DRUG ANTIBODY CONJUGATES PHARMA MAR SA (ES) 2024-03-20 EP disclosed
CN-114615999-B Drug antibody conjugates 法马马有限公司 2024-03-08 CN disclosed
US-20240075151-A1 CONJUGATES OF TUMOR NECROSIS FACTOR INHIBITORS TO FUNCTIONALIZED POLYMERS FISH & RICHARDSON PC 2024-03-07 US disclosed
US-20140303367-A1 Methods for Synthesizing Molybdopterin Precursor Z Derivatives ALEXION PHARMA INTERNATIONAL SÀRL (CH) 2014-10-09 US disclosed
US-8846941-B2 Functionalized polymers QUIAPEG AB (SE) 2014-09-30 US disclosed
WO-2014060575-A2 PROCESS FOR THE ENANTIOSELECTIVE SYNTHESIS OF A TETRAHYDROBENZAZEPINE COMPOUND MEDICHEM S.A. (ES) 2014-04-24 WO disclosed
US-20140030278-A1 CONJUGATES OF TUMOR NECROSIS FACTOR INHIBITORS TO FUNCTIONALIZED POLYMERS QUIAPEG AB (SE) 2014-01-30 US disclosed
EP-2675278-A1 METHODS FOR SYNTHESIZING MOLYBDOPTERIN PRECURSOR Z DERIVATIVES Alexion Pharma International SARL (CH) 2013-12-25 EP disclosed
WO-2013186632-A2 CONJUGATES OF BIOLOGICALLY ACTIVE MOLECULES TO FUNCTIONALIZED POLYMERS QUIAPEG AB (SE) 2013-12-19 WO disclosed
EP-2651448-A2 FUNCTIONALIZED POLYMERS QuiaPEG AB (SE) 2013-10-23 EP disclosed
WO-2012112922-A1 METHODS FOR SYNTHESIZING MOLYBDOPTERIN PRECURSOR Z DERIVATIVES ALEXION PHARMACEUTICALS, INC. (US) 2012-08-23 WO disclosed
US-20120178940-A1 Functionalized Polymers QUIAPEG AB (SE) 2012-07-12 US disclosed
WO-2012080836-A2 FUNCTIONALIZED POLYMERS KWIATKOWSKI MAREK (SE) 2012-06-21 WO 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-20140303367-A1 Methods for Synthesizing Molybdopterin Precursor Z Derivatives MTHFD2, ADH1B, DPYD PTGS2 2031/4885ALDH1A1 1289/4885CYP3A4 159/4885
US-12384800-B2 Antitumoral compounds TP53, TOP1, MCL1 PTGS2 394/4885ALDH1A1 144/4885CYP3A4 2078/4885
US-20250243174-A1 ANTITUMORAL COMPOUNDS MCL1, XPOT, GZMB PTGS2 1461/4885ALDH1A1 318/4885CYP3A4 1651/4885
US-20120178940-A1 Functionalized Polymers PARG, PUF60, PCBP1 PTGS2 1644/4885ALDH1A1 3526/4885CYP3A4 4832/4885
US-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL PTGS2 4162/4885ALDH1A1 785/4885CYP3A4 1769/4885
US-20240075151-A1 CONJUGATES OF TUMOR NECROSIS FACTOR INHIBITORS TO FUNCTIONALIZED POLYMERS TNF, TNFRSF1A, TNFSF11 PTGS2 421/4885ALDH1A1 3359/4885CYP3A4 4733/4885
US-20240166666-A1 ANTITUMORAL COMPOUNDS TP53, TOP1, MCL1 PTGS2 394/4885ALDH1A1 144/4885CYP3A4 2078/4885
US-20140030278-A1 CONJUGATES OF TUMOR NECROSIS FACTOR INHIBITORS TO FUNCTIONALIZED POLYMERS TNF, TNFRSF1A, TNFSF11 PTGS2 421/4885ALDH1A1 3359/4885CYP3A4 4733/4885

“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.