SCHEMBL5878752

SCHEMBL5878752

OCCNC(=S)NC1CC1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.53
RECQL P46063 1/20 0.53
MAPT P10636 1/20 0.53
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.50
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.45
ALOX12 P18054 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL6541448 0.92 KMT2A (0.47) KMT2AMEN1ALDH1A1POLBRECQL
SCHEMBL7153461 0.90 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1POLBRECQL
SCHEMBL5878686 0.90 PKM (0.64) KMT2AMEN1ALDH1A1CYP3A4CYP1A2
SCHEMBL5878791 0.90 PKM (0.64) KMT2AMEN1ALDH1A1CYP3A4CYP1A2
SCHEMBL7156719 0.87 KMT2A (0.51) KMT2AMEN1ALDH1A1POLBRECQL
SCHEMBL7156715 0.87 KMT2A (0.51) KMT2AMEN1ALDH1A1POLBRECQL
SCHEMBL27798450 0.80 KMT2A (0.45) KMT2AMEN1ALDH1A1POLBRECQL
SCHEMBL7155915 0.77 PKM (0.50) KMT2AMEN1ALDH1A1POLBRECQL
SCHEMBL7155917 0.77 PKM (0.50) KMT2AMEN1ALDH1A1POLBRECQL
SCHEMBL7159485 0.77 PKM (0.50) KMT2AMEN1ALDH1A1POLBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053114-B2 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. (US) 2006-05-30 US disclosed
US-6797725-B2 SUCH AS 4-METHYL-5-(2-OXO-1,2-DIHYDROINDOL-3-YLILDENEMETHYL)-1H-PYRROLE-2-CARBOXYLIC ACID FOR PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED CELLULAR DISORDERS; ANTICANCER AGENTS SUGEN, INC. 2004-09-28 US disclosed
US-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. 2004-09-23 US disclosed
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN. INC. 2003-05-29 US disclosed
WO-2002081466-A1 PRODRUGS OF 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES SUGEN, INC. (US) 2002-10-17 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-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 KMT2A 1772/4885MEN1 3621/4885ALDH1A1 1738/4885
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 KMT2A 1772/4885MEN1 3621/4885ALDH1A1 1738/4885

“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.