Sugi Predict

Sugi Predict / Compounds / SCHEMBL5046387

SCHEMBL5046387

SCHEMBL5046387

O=C(O)c1ccc(CCCN(CCCc2cccc(Cl)c2)C(=O)Nc2ccc(F)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ CNR1 P21554 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ EGFR P00533 2/20 0.40
▸ ERBB2 P04626 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5046569 0.94 CNR1 (0.47) POLBTSHRCNR1KMT2AALDH1A1
SCHEMBL5047961 0.93 POLB (0.48) POLBTSHRCNR1KMT2AEGFR
SCHEMBL5048193 0.90 ALDH1A1 (0.42) POLBTSHRCNR1KMT2AALDH1A1
SCHEMBL5046417 0.90 ALDH1A1 (0.40) POLBTSHRCNR1KMT2AALDH1A1
SCHEMBL5049399 0.89 MAPT (0.37) POLBTSHRKMT2AALDH1A1LMNA
SCHEMBL5046452 0.84 PPARG (0.44) POLBTSHRKMT2AALDH1A1LMNA
SCHEMBL5046689 0.83 PLAAT3 (0.41) KMT2AALDH1A1LMNATHRBRAB9A
SCHEMBL5046669 0.82 PTGES (0.47) ALDH1A1MAPT
SCHEMBL5047954 0.82 PLAAT3 (0.42) KMT2AALDH1A1LMNATHRBMAPT
SCHEMBL5726264 0.81 SLC2A1 (0.43) KMT2AALDH1A1LMNARAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 — — US disclosed
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 — — EP disclosed
US-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PFIZER INC. 2005-09-15 — — US disclosed
US-20030078261-A1 Prostaglandin agonists CAMERON KIMBERLY O (US) 2003-04-24 — — US disclosed
US-6498172-B1 (3-(((4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO)-METHYL) -PHENOXY)-ACETIC ACID OR SALT; TREATING SUCH AS OSTEOPOROSIS PFIZER INC. 2002-12-24 — — US disclosed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 — — EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 — — 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 (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-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PTGER2, PTGES2, PTGFR POLB 3622/4885TSHR 60/4885MMP2 1402/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR POLB 2090/4885TSHR 854/4885MMP2 2072/4885

“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.