SCHEMBL1094909

SCHEMBL1094909

FC(F)(F)Oc1ccc(OCc2ccccc2)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLC6A4 P31645 2/20 0.47
USP28 Q96RU2 1/20 0.46
USP25 Q9UHP3 1/20 0.46
MRGPRX4 Q96LA9 3/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
MAOB P27338 1/20 0.43
PTPN1 P18031 1/20 0.43
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TLR9 Q9NR96 1/20 0.41
PTGER1 P34995 1/20 0.41

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
SCHEMBL8418625 0.92 RAB9A (0.47) RAB9ASMN1; SMN2SLC6A4USP28USP25
SCHEMBL7778474 0.84 MAOB (0.59) RAB9ASMN1; SMN2MAOBPTPN1ALOX5
SCHEMBL6208606 0.84 MRGPRX4 (0.50) USP28USP25MRGPRX4RXRARXRB
SCHEMBL5785776 0.82 FFAR1 (0.50) SLC6A4USP28USP25MRGPRX4RXRA
SCHEMBL18623184 0.81 MAOB (0.60) RAB9ASMN1; SMN2MRGPRX4MAOB
SCHEMBL1587667 0.80 MRGPRX4 (0.46) SLC6A4USP28USP25MRGPRX4RXRA
SCHEMBL1587678 0.80 USP28 (0.50) USP28USP25MRGPRX4RXRARXRB
SCHEMBL1981413 0.79 MAOB (0.50) RAB9ASMN1; SMN2MRGPRX4RXRARXRB
SCHEMBL1587491 0.79 CCNB2 (0.47) RAB9ASMN1; SMN2MRGPRX4RXRARXRB
SCHEMBL1332170 0.79 SLC6A4 (0.56) RAB9ASMN1; SMN2SLC6A4MRGPRX4RXRA

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385938-B1 SULFONAMIDE DERIVATIVES PFIZER LTD (GB) 2015-03-04 EP disclosed
EP-2385938-B1 SULFONAMIDE DERIVATIVES PFIZER LTD (GB) 2015-03-04 EP disclosed
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
US-20130338111-A1 Sulfonamide Derivatives ICAGEN, INC. (US) 2013-12-19 US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 US disclosed
US-20120149679-A1 Sulfonamide Derivatives ICAGEN, INC. 2012-06-14 US disclosed
US-5925627-A Use of NK-1 receptor antagonists for treating movement disorders MERCK SHARP & DOHME LTD. (GB) 1999-07-20 US disclosed
US-5919781-A Use of NK-1 receptor antogonists for treating substance use disorders MERCK SHARP & DOHME LTD. (GB) 1999-07-06 US disclosed
EP-0906315-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1999-04-07 EP disclosed
WO-1999007374-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING AGGRESSIVE BEHAVIOUR MERCK SHARP & DOHME LIMITED (GB) 1999-02-18 WO disclosed
WO-1999007375-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING AGGRESSIVE BEHAVIOUR DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1999-02-18 WO disclosed
WO-1998024443-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING BIPOLAR DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 WO disclosed
WO-1998024438-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING MAJOR DEPRESSIVE DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 WO disclosed
WO-1998024441-A1 USE OF NK-1 RECEPTOR ANTAGONISTS FOR TREATING MAJOR DEPRESSIVE DISORDERS WITH ANXIETY MERCK SHARP & DOHME LIMITED (GB) 1998-06-11 WO disclosed
WO-1998013369-A1 SPIRO-AZACYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1998-04-02 WO disclosed
WO-1997049710-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1997-12-31 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-20130338111-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 RAB9A 4083/4885SMN1; SMN2 86/4885SLC6A4 193/4885
US-20120149679-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 RAB9A 4083/4885SMN1; SMN2 86/4885SLC6A4 193/4885

“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.