SCHEMBL9910982

SCHEMBL9910982

CC(C)(C)NC(=O)SC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.34
NOS1 P29475 1/20 0.32
KDM4E B2RXH2 3/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL22002182 0.74
SCHEMBL9912192 0.69 ALDH1A1 (0.40) EPHX1MEN1KMT2APOLBKDM4E
SCHEMBL14617948 0.69 ALDH1A1 (0.38) KMT2A
SCHEMBL18612606 0.69 CA12 (0.36) MEN1KMT2APOLB
SCHEMBL17614835 0.69 POLB (0.41) EPHX1MEN1KMT2APOLB
SCHEMBL23964452 0.67 POLB (0.37) POLB
SCHEMBL23897409 0.67 LMNA (0.33) EPHX1MEN1KMT2APOLB
SCHEMBL17614232 0.67 MEN1 (0.48) EPHX1MEN1KMT2ANOS1
SCHEMBL133932 0.65 NPC1 (0.44) EPHX1MEN1KMT2APOLBKDM4E
SCHEMBL6859267 0.65 KDM4E (0.46) EPHX1MEN1KMT2APOLBKDM4E

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-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 US disclosed
US-9856260-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2018-01-02 US disclosed
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2016-09-15 US disclosed
US-9375474-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2016-06-28 US disclosed
US-20160082123-A1 Hydrogel-Linked Prodrugs Releasing Tagged Drugs ASCENDIS PHARMA A/S (DK) 2016-03-24 US disclosed
US-9068046-B2 Sulfur-containing oligomer and dendrimer of acrylate and preparation methods thereof ETERNAL MATERIALS CO., LTD. (TW) 2015-06-30 US disclosed
US-20140171597-A1 SULFUR-CONTAINING OLIGOMER AND DENDRIMER OF ACRYLATE AND PREPARATION METHODS THEREOF ETERNAL MATERIALS CO., LTD. (TW) 2014-06-19 US disclosed
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same Alliance Discovery, Inc. (US) 2013-06-20 US disclosed
US-8435993-B2 Methods of inhibiting metastasis from cancer PHILADELPHIA HEALTH AND EDUCATION CORPORATION (US) 2013-05-07 US disclosed
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer Alliance Discovery, Inc. 2012-06-07 US disclosed
US-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 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 (5 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-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 EPHX1 761/4885MEN1 592/4885KMT2A 3816/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 EPHX1 729/4885MEN1 735/4885KMT2A 3447/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 EPHX1 761/4885MEN1 592/4885KMT2A 3816/4885
US-20160082123-A1 Hydrogel-Linked Prodrugs Releasing Tagged Drugs PTMS, PGLS, PAM EPHX1 164/4885MEN1 3497/4885KMT2A 2556/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 EPHX1 761/4885MEN1 592/4885KMT2A 3816/4885

“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.