SCHEMBL4911989

SCHEMBL4911989

CCOC(=O)c1ccc(-c2ccccc2C(=O)O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
BAZ2B Q9UIF8 1/20 0.49
BAZ2A Q9UIF9 1/20 0.49
PTPN11 Q06124 1/20 0.48
LTB4R2 Q9NPC1 4/20 0.46
PTPRC P08575 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPA Q15257 1/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK10 P53779 1/20 0.46
KMT2A Q03164 1/20 0.46
PTK2B Q14289 1/20 0.46

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
SCHEMBL5059050 0.85 TSHR (0.54) TSHRBAZ2BBAZ2ACYP1A2MAPT
SCHEMBL4919267 0.82 ERN1 (0.51) TSHRBAZ2BBAZ2AMEN1USP2
SCHEMBL5572323 0.80 TSHR (0.69) TSHRMEN1USP2CYP1A2CYP3A4
SCHEMBL23354547 0.79 FTO (0.53) TSHRPTPN11ALDH1A1PDK2KDM4E
SCHEMBL1665510 0.78 TSHR (0.61) TSHRMEN1USP2CYP1A2CYP3A4
SCHEMBL4503741 0.77 CYP4F2 (0.60) TSHRBAZ2BBAZ2AKMT2AALDH1A1
SCHEMBL27686802 0.77 TSHR (0.65) TSHRPTPRCPTPN2PTPN1PTPA
SCHEMBL396552 0.77 TSHR (0.69) TSHRMEN1USP2CYP1A2CYP3A4
SCHEMBL3542609 0.77 PTGER1 (0.56) TP53ALDH1A1PDK2
SCHEMBL406428 0.76 TSHR (0.74) TSHRBAZ2BBAZ2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200551-A1 Flourene Derivative ASTELLAS PHARMA INC. (JP) 2008-08-21 US disclosed
US-20080171788-A1 Medicament For Irritable Bowel Syndrome ASTELLAS PHARMA INC. (JP) 2008-07-17 US disclosed
US-20080161419-A1 Prophylactic Antimigraine Agents ASTELLAS PHARMA INC. (JP) 2008-07-03 US disclosed
EP-1852129-A1 REMEDY FOR IRRITABLE BOWEL SYNDROME Astellas Pharma Inc. (JP) 2007-11-07 EP disclosed
EP-1728784-A1 FLUORENE DERIVATIVE Astellas Pharma Inc. (JP) 2006-12-06 EP disclosed
EP-1716867-A1 PREVENTIVES FOR MIGRAINE Astellas Pharma Inc. (JP) 2006-11-02 EP 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 (3 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-20080161419-A1 Prophylactic Antimigraine Agents HTR2B, HTR7, HTR1A TSHR 730/4885BAZ2B 4135/4885BAZ2A 4507/4885
US-20080200551-A1 Flourene Derivative HTR2B, HTR7, HTR2C TSHR 306/4885BAZ2B 1703/4885BAZ2A 2481/4885
US-20080171788-A1 Medicament For Irritable Bowel Syndrome HTR7, HTR5A, HTR3B TSHR 1154/4885BAZ2B 3659/4885BAZ2A 4070/4885

“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.