SCHEMBL4144845

SCHEMBL4144845

C[C@H](C(=O)O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.57
PTGS1 P23219 4/20 0.57
MAPT P10636 3/20 0.53
CXCR1 P25024 2/20 0.53
CXCR2 P25025 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP3A4 P08684 2/20 0.53
HPGD P15428 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CXCL8 P10145 2/20 0.53
RECQL P46063 1/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
PMP22 Q01453 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
HSD17B10 Q99714 1/20 0.53
THPO P40225 1/20 0.53
HIF1A Q16665 1/20 0.53
AKR1C3 P42330 2/20 0.52

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
SCHEMBL3355855 1.00 PTGS2 (0.57) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL4486188 0.91 AKR1C3 (0.50) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL8522917 0.90 PTGS1 (0.55) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL13668901 0.88 PTGS1 (0.53) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL2998970 0.88 PTGS1 (0.47) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL1122739 0.86 BCL2 (0.64) PTGS2PTGS1MAPTALDH1A1LMNA
SCHEMBL8576518 0.86 PTGS1 (0.55) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL8523457 0.86 PTGS1 (0.55) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL7038218 0.86 MAPT (0.50) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL8462914 0.85 PTGS1 (0.50) PTGS2PTGS1MAPTCXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170934-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NICOX SA 2009-07-02 US disclosed
US-20090096314-A1 ELECTRIC MOTOR HONDA MOTOR CO., LTD. (JP) 2009-04-16 US disclosed
US-20060122402-A1 Manufacturing process for no-donating compounds such as no-donating diclofenac NICOX SA (FR) 2006-06-08 US disclosed
CN-1684940-A Manufacturing process for NO-donating compounds such as NO-donating diclofenac NICOX SA (FR) 2005-10-19 CN disclosed
EP-1558559-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC Nicox S.A. (FR) 2005-08-03 EP disclosed
WO-2004026808-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NICOX SA. (FR) 2004-04-01 WO disclosed
US-20030049807-A1 Micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities INSTITUTO BIOCHIMICO ITALIANO GIOVANNI LOREZINI S.P.A. (IT) 2003-03-13 US disclosed
EP-1291435-A2 A micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities ISTITUTO BIOCHIMICO ITALIANO GIOVANNI LORENZINI S.p.A. (IT) 2003-03-12 EP disclosed
US-4465855-A ANTIREUMATIC & ANTIINFLAMMATORIES CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1984-08-14 US disclosed
US-4385004-A Esters of ortho-allylphenol useful for the preparation of arylacetic acid derivatives CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1983-05-24 US disclosed
US-4317920-A ANTIRHEUMATIC AGENTS, ANTIINFLAMMATORY AGENTS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1982-03-02 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 (2 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-20060122402-A1 Manufacturing process for no-donating compounds such as no-donating diclofenac NOS2, NOS1, NOS3 PTGS2 30/4885PTGS1 28/4885MAPT 3503/4885
US-20090170934-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NOS2, NOS1, NOS3 PTGS2 30/4885PTGS1 28/4885MAPT 3503/4885

“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.